2-[4-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]sulfonylphenyl]isoindoline-1,3-dione CAS Name: 2-[4-[[4-[2-(4-hydroxyphenoxy)-1-oxoethyl]-1-piperazinyl]sulfonyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-yl]sulfonylphenyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[2-(4-hydroxyphenoxy)acetyl]piperazino]sulfonylphenyl]isoindoline-1,3-quinone Formula: C26H23N3O7S MolecularWeight: 521.54172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=CC=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C(=O)COC2=CC=C(C=C2)O)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H23N3O7S/c30-19-7-9-20(10-8-19)36-17-24(31)27-13-15-28(16-14-27)37(34,35)21-11-5-18(6-12-21)29-25(32)22-3-1-2-4-23(22)26(29)33/h1-12,30H,13-17H2